Chemical Properties of Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, hydroxy-M

InChI

InChI=1S/C15H23NO4S/c1-5-8-21-15-12(19-3)9-11(6-7-16-10(2)17)14(20-4)13(15)18/h9,18H,5-8H2,1-4H3,(H,16,17)

InChI Key

XGTRKCZLXMGTQQ-UHFFFAOYSA-N

Formula

C15H23NO4S

SMILES

CCCSc1c(OC)cc(CCN=C(C)O)c(OC)c1O

Molecular Weight¹

313.41

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-630.49	kJ/mol	Joback Calculated Property
ΔvapH°	97.97	kJ/mol	Joback Calculated Property
log10WS	-3.46		Crippen Calculated Property
logPoct/wat	3.430		Crippen Calculated Property
McVol	243.960	ml/mol	McGowan Calculated Property
Pc	1978.82	kPa	Joback Calculated Property
Inp	[2740.00; 2740.00]
Inp	2740.00		NIST
Inp	2740.00		NIST
Tboil	947.20	K	Joback Calculated Property
Tc	1171.25	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Phenethylamine, 2,5-dimethoxy-4-propylthio, N-acetyl, hydroxy-M.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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